1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C19H18N2O3 — CID 90566033

IUPAC1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H18N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21-10-7-15(8-11-21)23-16-5-3-9-20-13-16/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyYKLYPPNJQRESRQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.51
Rot. Bonds3

About 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone

1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 90566033) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID90566033
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H18N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21-10-7-15(8-11-21)23-16-5-3-9-20-13-16/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyYKLYPPNJQRESRQ-UHFFFAOYSA-N
XLogP3.51
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625324
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186348
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23849343
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
1-benzofuran-2-yl-[4-[1-[2-methoxyethyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 118757257

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 90566033) is 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is YKLYPPNJQRESRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(18-12-14-4-1-2-6-17(14)24-18)21-10-7-15(8-11-21)23-16-5-3-9-20-13-16/h1-6,9,12-13,15H,7-8,10-11H2.
What are the key properties of 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 322.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).